4-(oxolan-3-ylmethoxy)aniline

• ChemBase ID: 276892
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O1CC(COc2ccc(N)cc2)CC1
• Canonical SMILES: Nc1ccc(cc1)OCC1COCC1
• InChI: InChI=1S/C11H15NO2/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9/h1-4,9H,5-8,12H2
• InChIKey: JZXLBHLLFVRKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxolan-3-ylmethoxy)aniline
• IUPAC Traditional name: 4-(oxolan-3-ylmethoxy)aniline
• Synonyms: 4-(oxolan-3-ylmethoxy)aniline

Database IDs

• MDL Number: MFCD14621684
• PubChem SID: 164332802
• PubChem CID: 54594409

CALCULATED PROPERTIES

• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8708532
• LogD (pH = 7.4): 1.003438
• Log P: 1.0054235
• Molar Refractivity: 55.8153 cm^3
• Polarizability: 21.313576 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.826

Product Information

• Purity: 95%